methyl 3-(2-cyclohexylsulfanylethanoylamino)-4-methyl-benzoate

Systemtic Name: methyl 3-(2-cyclohexylsulfanylethanoylamino)-4-methyl-benzoate Openeye Name: methyl 3-[(2-cyclohexylsulfanylacetyl)amino]-4-methyl-benzoate CAS Name: 3-[[2-(cyclohexylthio)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(2-cyclohexylsulfanylacetyl)amino]-4-methylbenzoate Traditional Name: 3-[[2-(cyclohexylthio)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2CCCCC2

InChI

InChI=1S/C17H23NO3S/c1-12-8-9-13(17(20)21-2)10-15(12)18-16(19)11-22-14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3,(H,18,19)